tributylstannyl undec-10-enoate

C23H46O2Sn — CID 16683279

IUPACtributylstannyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H20O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11(12)13;3*1-3-4-2;/h2H,1,3-10H2,(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyXEMFLPGDKXELSO-UHFFFAOYSA-M
MW473.33 g/mol
LogP8.18
Rot. Bonds19

About tributylstannyl undec-10-enoate

tributylstannyl undec-10-enoate (PubChem CID 16683279) has the molecular formula C23H46O2Sn and a molecular weight of 473.33 g/mol. Its IUPAC name is tributylstannyl undec-10-enoate.

Molecular Properties

Compound Nametributylstannyl undec-10-enoate
PubChem CID16683279
Molecular FormulaC23H46O2Sn
Molecular Weight473.33 g/mol
Exact Mass474.25
IUPAC Nametributylstannyl undec-10-enoate
SMILESC=CCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C11H20O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11(12)13;3*1-3-4-2;/h2H,1,3-10H2,(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyXEMFLPGDKXELSO-UHFFFAOYSA-M
XLogP8.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.33
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tributylstannyl undec-10-enoate?
The IUPAC name of tributylstannyl undec-10-enoate (CID 16683279) is tributylstannyl undec-10-enoate.
What is the SMILES notation for tributylstannyl undec-10-enoate?
The canonical SMILES for tributylstannyl undec-10-enoate is C=CCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributylstannyl undec-10-enoate?
The InChIKey is XEMFLPGDKXELSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H20O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11(12)13;3*1-3-4-2;/h2H,1,3-10H2,(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributylstannyl undec-10-enoate?
tributylstannyl undec-10-enoate has a molecular weight of 473.33 g/mol, XLogP of 8.18, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannyl undec-10-enoate is sourced from PubChem (CID 16683279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).